phenyl (3Z)-2-ethoxy-6-methylsulfanyl-3-(phenylmethylidene)-1H-isoindole-5-sulfonate

Systemtic Name: phenyl (3Z)-2-ethoxy-6-methylsulfanyl-3-(phenylmethylidene)-1H-isoindole-5-sulfonate Openeye Name: phenyl (3Z)-3-benzylidene-2-ethoxy-6-methylsulfanyl-isoindoline-5-sulfonate CAS Name: (3Z)-2-ethoxy-6-(methylthio)-3-(phenylmethylene)-1H-isoindole-5-sulfonic acid phenyl ester IUPAC Name: phenyl (3Z)-3-benzylidene-2-ethoxy-6-methylsulfanyl-1H-isoindole-5-sulfonate Traditional Name: (3Z)-3-benzal-2-ethoxy-6-(methylthio)isoindoline-5-sulfonic acid phenyl ester Formula: C24H23NO4S2 MolecularWeight: 453.57372

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Descriptors Computed from Structure

Canonical SMILES:

CCON1CC2=CC(=C(C=C2C1=CC3=CC=CC=C3)S(=O)(=O)OC4=CC=CC=C4)SC

Isomeric SMILES

CCON\1CC2=CC(=C(C=C2/C1=C/C3=CC=CC=C3)S(=O)(=O)OC4=CC=CC=C4)SC

InChI

InChI=1S/C24H23NO4S2/c1-3-28-25-17-19-15-23(30-2)24(31(26,27)29-20-12-8-5-9-13-20)16-21(19)22(25)14-18-10-6-4-7-11-18/h4-16H,3,17H2,1-2H3/b22-14-